纳米晶Al薄膜Bauschinger效应的分子动力学模拟*
李晓雁, 男, 1980年生, 副研究员
收稿日期: 2013-11-15
修回日期: 2013-11-15
网络出版日期: 2014-02-20
基金资助
*美国自然科学基金项目DMR-0520651, CMMI-0758535和MSS090046资助
ATOMISTIC SIMULATIONS OF BAUSCHINGER EFFECT IN NANOCRYSTALLINE ALUMINUM THIN FILMS
Received date: 2013-11-15
Revised date: 2013-11-15
Online published: 2014-02-20
Supported by
Supported by National Science Foundation (Nos.DMR-0520651, CMMI-0758535 and MSS090046)
运用大规模的分子动力学模拟研究了厚度和晶粒取向对纳米晶Al薄膜Bauschinger效应的影响. 模拟结果表明: 晶粒取向的不均匀性对早期Bauschinger效应及相关塑性变形机制有显著的影响. 相对于没有织构的薄膜试样而言, 尽管晶粒尺寸、形状和厚度相同, 具有(110)织构的薄膜表现出较轻微的Bauschinger效应. 同时, 分子动力学模拟也揭示早期Bauschinger效应起源于卸载过程中位错的反向运动和由于位错反应造成位错密度的降低. 这些位错机制是由加载过程中产生的不均匀变形引起的内在残余应力所驱动的.
关键词： 纳米晶Al薄膜; Bauschinger效应; 位错; 塑性变形; 原子尺度模拟
李晓雁 . 纳米晶Al薄膜Bauschinger效应的分子动力学模拟*[J]. 金属学报, 2014 , 50(2) : 219 -225 . DOI: 10.3724/SP.J.1037.2013.00737
The early Bauschinger effect in nanocrystalline Al thin films with different thicknesses and microstructural orientations was investigated using large-scale atomistic simulations. The simulation results indicate that the microstructural orientation heterogeneity has a significant influence on the early Bauschinger effect and the associated plastic deformation mechanisms. The (110)-textured thin films show less Bauschinger effect compared to non-textured films despite having the same grain size, shape and thickness. The atomistic simulations reveal that the early Bauschinger effect originates from the reverse motion of dislocations and the reduction in dislocation density due to dislocation reactions during unloading, which are driven by the internal residual stress caused by the inhomogeneous deformation during loading.
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